Molecule

ID:41133

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅S
Molecular Mass
313.36936
Exact Mass
313.09839371
Charge
0
InChI
InChI=1S/C14H19NO5S/c1-19-12-3-5-13(6-4-12)21(17,18)15-9-7-11(8-10-15)14(16)20-2/h3-6,11H,7-10H2,1-2H3
InChIKey
FUSSYBQNIXEVQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0879622
LogD (pH = 7.4)
1.0879622
Log P
1.0879622
Molar Refractivity
77.6235
Polarizability
31.118425
Polar Surface Area
72.91
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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